[gmx-users] position restraints

[Justin A. Lemkul]

Quoting gadies at fh.huji.ac.il:

> Hello,
>
> I'm trying to run a simulation with one lipid molecule in a fixed
> simulation box without pbc.
> I set position restraints on one of the atoms and I seem to keep on
> getting the following error:
>
> "...This usually means your system is exploding..."
>
> Do you have any idea what may cause this problem?

Not without further details.  Where did you get the parameters for your lipid? 
What lipid is it?  What did you do to minimize and equilibrate your system? 
What's in your .mdp file?

See here: http://wiki.gromacs.org/index.php/blowing_up

-Justin

>
> Thank you
> Gadi
>
>
>
> ----------------------------------------------------------------
> This message was sent using IMP, the Internet Messaging Program.
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>



========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

========================================